Iron in PDB 2cag: Catalase Compound II

All present enzymatic activity of Catalase Compound II:
1.11.1.6;

The structure of Catalase Compound II, PDB code: 2cag was solved by P.Gouet, H.M.Jouve, J.Hajdu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.70
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.840, 111.840, 249.910, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 24.1

The binding sites of Iron atom in the Catalase Compound II (pdb code 2cag). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Catalase Compound II, PDB code: 2cag:

Iron binding site 1 out of 1 in the Catalase Compound II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catalase Compound II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe485 b:12.8 occ:1.00 FE A:HEM485 0.0 12.8 1.0 O A:HOH553 1.7 31.0 1.0 OH A:TYR337 1.7 13.8 1.0 ND A:HEM485 1.9 12.0 1.0 NC A:HEM485 1.9 27.0 1.0 NA A:HEM485 2.0 19.2 1.0 NB A:HEM485 2.0 18.3 1.0 CZ A:TYR337 2.7 14.5 1.0 C1B A:HEM485 2.8 20.4 1.0 C4D A:HEM485 2.8 12.0 1.0 C1C A:HEM485 2.9 24.8 1.0 C4A A:HEM485 2.9 17.5 1.0 C1D A:HEM485 3.0 17.8 1.0 C4C A:HEM485 3.1 30.6 1.0 C4B A:HEM485 3.2 19.8 1.0 C1A A:HEM485 3.2 15.6 1.0 CHB A:HEM485 3.2 18.2 1.0 CHC A:HEM485 3.3 18.9 1.0 CHA A:HEM485 3.3 13.1 1.0 CE1 A:TYR337 3.5 11.4 1.0 CHD A:HEM485 3.5 24.7 1.0 CE2 A:TYR337 3.6 13.3 1.0 C2B A:HEM485 4.1 20.2 1.0 O A:HOH486 4.1 28.6 1.0 C3D A:HEM485 4.1 11.6 1.0 C2C A:HEM485 4.2 22.0 1.0 NH2 A:ARG333 4.2 17.0 1.0 C3B A:HEM485 4.2 23.0 1.0 C3A A:HEM485 4.3 10.4 1.0 NE A:ARG333 4.3 12.6 1.0 C2A A:HEM485 4.3 9.3 1.0 C2D A:HEM485 4.3 11.4 1.0 C3C A:HEM485 4.4 21.4 1.0 CZ A:PHE140 4.4 13.7 1.0 CZ A:ARG333 4.7 18.5 1.0 CD2 A:HIS54 4.7 21.5 1.0 NE2 A:HIS54 4.7 18.5 1.0 CD1 A:TYR337 4.7 15.5 1.0 CE2 A:PHE140 4.8 14.3 1.0 CD2 A:TYR337 4.9 11.8 1.0

P.Gouet, H.M.Jouve, P.A.Williams, I.Andersson, P.Andreoletti, L.Nussaume, J.Hajdu. Ferryl Intermediates of Catalase Captured By Time-Resolved Weissenberg Crystallography and Uv-Vis Spectroscopy. Nat.Struct.Biol. V. 3 951 1996.
ISSN: ISSN 1072-8368
PubMed: 8901874
DOI: 10.1038/NSB1196-951